2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate

C8H8F3NO2S — CID 61315817

IUPAC2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3NO2S/c1-4-5(12)2-6(15-4)7(13)14-3-8(9,10)11/h2H,3,12H2,1H3
InChIKeyKYHWWEOCZHATNB-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.36
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate

2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61315817) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61315817
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OCC(F)(F)F)cc1N
InChIInChI=1S/C8H8F3NO2S/c1-4-5(12)2-6(15-4)7(13)14-3-8(9,10)11/h2H,3,12H2,1H3
InChIKeyKYHWWEOCZHATNB-UHFFFAOYSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate (CID 61315817) is 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OCC(F)(F)F)cc1N.
What is the InChIKey of 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is KYHWWEOCZHATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-4-5(12)2-6(15-4)7(13)14-3-8(9,10)11/h2H,3,12H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate?
2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 239.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61315817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).